| Synonyms: | |
| Status: | Approved (1990) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01DB06 |
| UNII: | ZRP63D75JW |
Structure
| InChI Key | XDXDZDZNSLXDNA-TZNDIEGXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H27NO9 |
| Molecular Weight | 497.5 |
| AlogP | 1.02 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 176.61 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 36.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | 2.100 | - | EST |
| Atmospheric OH Rate Constant | 1.34E-10 | cm3/molecule-sec | EST |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia, Myelomonocytic, Chronic | 3 | D015477 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
| Leukemia, Monocytic, Acute | 3 | D007948 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
| Leukemia, Promyelocytic, Acute | 3 | D015473 | ClinicalTrials |
| Myelodysplastic Syndromes | 3 | D009190 | ClinicalTrials |
| Leukemia | 3 | D007938 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Multiple Myeloma | 3 | D009101 | ClinicalTrials |
| Anemia, Refractory | 3 | D000753 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 3 | D008228 | ClinicalTrials |
| Leukemia, Erythroblastic, Acute | 3 | D004915 | ClinicalTrials |
| Sarcoma | 3 | D012509 | ClinicalTrials |
| Leukemia, Erythroblastic, Acute | 3 | D004915 | ClinicalTrials |
| Leukemia, Myelomonocytic, Acute | 3 | D015479 | ClinicalTrials |
| Myeloproliferative Disorders | 3 | D009196 | ClinicalTrials |
| Leukemia, Megakaryoblastic, Acute | 3 | D007947 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 3 | D015470 | ClinicalTrials |
| Anemia, Refractory, with Excess of Blasts | 3 | D000754 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
| Myeloproliferative Disorders | 3 | D009196 | ClinicalTrials |
| Liver Neoplasms | 2 | D008113 | ClinicalTrials |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 2 | D015464 | ClinicalTrials |
| Blast Crisis | 2 | D001752 | ClinicalTrials |
| Neutropenia | 2 | D009503 | ClinicalTrials |
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 58957-92-9 |
| ChEBI | 42068 |
| ChEMBL | CHEMBL1117 |
| DrugBank | DB01177 |
| DrugCentral | 1414 |
| EPA CompTox | DTXSID7023142 |
| FDA SRS | ZRP63D75JW |
| Human Metabolome Database | HMDB0015308 |
| Guide to Pharmacology | 7083 |
| PDB | DM5 |
| PharmGKB | PA449961 |
| PubChem | 42890 |
| SureChEMBL | SCHEMBL3750 |
| ZINC | ZINC000003920266 |
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